4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide

C22H25N5O3S — CID 2997684

IUPAC4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C22H25N5O3S/c23-20(29)17-10-15(28)11-27(17)21-19-16(14-4-2-1-3-5-14)13-31-22(19)25-18(24-21)12-26-6-8-30-9-7-26/h1-5,13,15,17,28H,6-12H2,(H2,23,29)
InChIKeyXAIQGMLTYMTMMJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP1.62
Rot. Bonds5

About 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide

4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 2997684) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID2997684
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C22H25N5O3S/c23-20(29)17-10-15(28)11-27(17)21-19-16(14-4-2-1-3-5-14)13-31-22(19)25-18(24-21)12-26-6-8-30-9-7-26/h1-5,13,15,17,28H,6-12H2,(H2,23,29)
InChIKeyXAIQGMLTYMTMMJ-UHFFFAOYSA-N
XLogP1.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 2997684) is 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is XAIQGMLTYMTMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c23-20(29)17-10-15(28)11-27(17)21-19-16(14-4-2-1-3-5-14)13-31-22(19)25-18(24-21)12-26-6-8-30-9-7-26/h1-5,13,15,17,28H,6-12H2,(H2,23,29).
What are the key properties of 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide?
4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 2997684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).